4-(3-fluorophenyl)-1H-pyrimidin-6-one

C10H7FN2O — CID 135679870

IUPAC4-(3-fluorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cccc(F)c2)nc[nH]1
InChIInChI=1S/C10H7FN2O/c11-8-3-1-2-7(4-8)9-5-10(14)13-6-12-9/h1-6H,(H,12,13,14)
InChIKeyYWRPJIHIQQSAFE-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.58
Rot. Bonds1

About 4-(3-fluorophenyl)-1H-pyrimidin-6-one

4-(3-fluorophenyl)-1H-pyrimidin-6-one (PubChem CID 135679870) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1H-pyrimidin-6-one
PubChem CID135679870
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name4-(3-fluorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cccc(F)c2)nc[nH]1
InChIInChI=1S/C10H7FN2O/c11-8-3-1-2-7(4-8)9-5-10(14)13-6-12-9/h1-6H,(H,12,13,14)
InChIKeyYWRPJIHIQQSAFE-UHFFFAOYSA-N
XLogP1.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-fluorophenyl)-1H-pyrimidin-6-one (CID 135679870) is 4-(3-fluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-fluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-fluorophenyl)-1H-pyrimidin-6-one is O=c1cc(-c2cccc(F)c2)nc[nH]1.
What is the InChIKey of 4-(3-fluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is YWRPJIHIQQSAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c11-8-3-1-2-7(4-8)9-5-10(14)13-6-12-9/h1-6H,(H,12,13,14).
What are the key properties of 4-(3-fluorophenyl)-1H-pyrimidin-6-one?
4-(3-fluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 190.18 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135679870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).